mirror of https://gitlab.com/QEF/q-e.git
3a98e2d9d4
- correct an unquoted string (iosys) in PW/input.f90:483 (this was the cause of tonight compilation failere) - correct a few incorrect format strings - make more use of the constants module and thus provide more consistent units. NOTE, this has some numerical changes in the outputs, as in some places rather low precision and inconsistent numbers were used for unit conversion. - convert all(?) single precision constants to double using the attached little perl program. exceptions: efermi.f90 (as it is supposed to be rewritten anyways), plotbands.f90 (it uses single precision everywhere, which may result in saving a significant amount of memory, so i converted the two double precision constants to single). Unused routine 'set_fft_grid' removed git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3602 c92efa57-630b-4861-b058-cf58834340f0 |
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.. | ||
Makefile | ||
a_h.f90 | ||
cg_readin.f90 | ||
cg_setup.f90 | ||
cg_setupdgc.f90 | ||
cgcom.f90 | ||
cgsolve.f90 | ||
d2ion.f90 | ||
dgcxc.f90 | ||
dgcxc_spin.f90 | ||
dgradcorr.f90 | ||
dielec.f90 | ||
drhodv.f90 | ||
dvb_cc.f90 | ||
dvpsi_e.f90 | ||
dvpsi_kb.f90 | ||
dyndiar.f90 | ||
dynmat_init.f90 | ||
dynmatcc.f90 | ||
find_equiv_sites.f90 | ||
generate_dynamical_matrix.f90 | ||
generate_effective_charges.f90 | ||
h_h.f90 | ||
macro.f90 | ||
make.depend | ||
phcg.f90 | ||
pw_dot.f90 | ||
rhod2vkb.f90 | ||
solve_e.f90 | ||
solve_ph.f90 | ||
writedyn.f90 | ||
zvscal.f90 |